UCSF

ZINC25854533

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 13.56 -11.15 0 6 0 54 435.597 7
Mid Mid (pH 6-8) 3.80 15.84 -49.21 1 6 1 55 436.605 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )